HRID164222

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734648

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C11H16BNO2

结构：Cc1nc(C(F)(F)F)ccc1Cn1nc2c(-c3ccccc3)c(-c3ccc(C#N)cc3)ccn2c1=O

HCID16004909

未命名化合物

结构：Cc1c(Br)c(-c2ccc(Cl)cc2)cc2nn(Cc3ccc(C(F)(F)F)nc3)c(=O)n12

HCID57799427

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccncc2)c(-c2ccc(Cl)cc2)cc2nn(Cc3ccc(C(F)(F)F)nc3)c(=O)n12

HCID57799383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52501eb1b03b4390b91a8a9d5ef5b739
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[c:3](-[c:24]2[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]2)[cH:4][c:5]2[n:6]([c:7]1[CH3:8])[c:9](=[O:23])[n:10]([CH2:12][c:13]1[cH:14][n:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]1)[n:11]2.[CH3:31][C:32]1([CH3:33])[C:34]([CH3:35])([CH3:36])[O:37][B:38]([c:39]2[cH:40][cH:41][n:42][cH:43][cH:44]2)[O:45]1.[CH3:46][c:47]1[c:48]([CH2:49][n:50]2[c:51](=[O:52])[n:53]3[cH:54][cH:55][c:56](-[c:57]4[cH:58][cH:59][c:60]([C:61]#[N:62])[cH:63][cH:64]4)[c:65](-[c:66]4[cH:67][cH:68][cH:69][cH:70][cH:71]4)[c:72]3[n:73]2)[cH:74][cH:75][c:76]([C:77]([F:78])([F:79])[F:80])[n:81]1>>[c:2]1(-[c:39]2[cH:40][cH:41][n:42][cH:43][cH:44]2)[c:3](-[c:24]2[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]2)[cH:4][c:5]2[n:6]([c:7]1[CH3:8])[c:9](=[O:23])[n:10]([CH2:12][c:13]1[cH:14][n:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]1)[n:11]2